8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline

C15H8BrCl2FN2 — CID 114589644

IUPAC8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
SMILESCc1cc(Br)c2nc(-c3cccc(Cl)c3F)nc(Cl)c2c1
InChIInChI=1S/C15H8BrCl2FN2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)18)8-3-2-4-11(17)12(8)19/h2-6H,1H3
InChIKeyFRXGOPFKDKGNDC-UHFFFAOYSA-N
MW386.05 g/mol
LogP5.81
Rot. Bonds1

About 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline

8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline (PubChem CID 114589644) has the molecular formula C15H8BrCl2FN2 and a molecular weight of 386.05 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
PubChem CID114589644
Molecular FormulaC15H8BrCl2FN2
Molecular Weight386.05 g/mol
Exact Mass383.92
IUPAC Name8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
SMILESCc1cc(Br)c2nc(-c3cccc(Cl)c3F)nc(Cl)c2c1
InChIInChI=1S/C15H8BrCl2FN2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)18)8-3-2-4-11(17)12(8)19/h2-6H,1H3
InChIKeyFRXGOPFKDKGNDC-UHFFFAOYSA-N
XLogP5.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.05
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine
CID 81266901
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine
CID 63034900
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline
CID 114590827
8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline?
The IUPAC name of 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline (CID 114589644) is 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline is Cc1cc(Br)c2nc(-c3cccc(Cl)c3F)nc(Cl)c2c1.
What is the InChIKey of 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline?
The InChIKey is FRXGOPFKDKGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2FN2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)18)8-3-2-4-11(17)12(8)19/h2-6H,1H3.
What are the key properties of 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline?
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline has a molecular weight of 386.05 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline is sourced from PubChem (CID 114589644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).